N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide

C19H17ClN2O — CID 91533678

IUPACN-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide
SMILESCc1cn(C)cc1C(=O)Nc1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O/c1-13-11-22(2)12-17(13)19(23)21-18-9-4-3-8-16(18)14-6-5-7-15(20)10-14/h3-12H,1-2H3,(H,21,23)
InChIKeySOPCEZWGEPXKLM-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.91
Rot. Bonds3

About N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide

N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide (PubChem CID 91533678) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide
PubChem CID91533678
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC NameN-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide
SMILESCc1cn(C)cc1C(=O)Nc1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O/c1-13-11-22(2)12-17(13)19(23)21-18-9-4-3-8-16(18)14-6-5-7-15(20)10-14/h3-12H,1-2H3,(H,21,23)
InChIKeySOPCEZWGEPXKLM-UHFFFAOYSA-N
XLogP4.91
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide
CID 58802007
4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide
CID 91542727
3-(3-chlorophenyl)-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 154929741
N-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide
CID 91453109
N-(5-chloro-2-methylphenyl)-2-phenylbenzamide
CID 976295
N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane
CID 143363894
3-(3-chlorophenyl)-5-(2,2-dichloroacetyl)-1-methylpyridin-4-one
CID 20548496
N-[2-(3,4-dichlorophenyl)phenyl]-3-iodo-1-methylpyrazole-4-carboxamide
CID 11454250
1-methyl-N-[2-(3-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 150231794
1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide
CID 52694723
5-chloro-2-hydroxy-N-(2-methylphenyl)benzamide
CID 970572
(3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone
CID 101047208

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide (CID 91533678) is N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide is Cc1cn(C)cc1C(=O)Nc1ccccc1-c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide?
The InChIKey is SOPCEZWGEPXKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-13-11-22(2)12-17(13)19(23)21-18-9-4-3-8-16(18)14-6-5-7-15(20)10-14/h3-12H,1-2H3,(H,21,23).
What are the key properties of N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide?
N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 91533678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).